methylphosphanyl(triphenyl)phosphanium bromide

C19H19BrP2 — CID 174748079

IUPACmethylphosphanyl(triphenyl)phosphanium bromide
SMILESCP[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C19H19P2.BrH/c1-20-21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16,20H,1H3;1H/q+1;/p-1
InChIKeySWVBMLPRHXYKBC-UHFFFAOYSA-M
MW389.21 g/mol
LogP1.21
Rot. Bonds4

About methylphosphanyl(triphenyl)phosphanium bromide

methylphosphanyl(triphenyl)phosphanium bromide (PubChem CID 174748079) has the molecular formula C19H19BrP2 and a molecular weight of 389.21 g/mol. Its IUPAC name is methylphosphanyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namemethylphosphanyl(triphenyl)phosphanium bromide
PubChem CID174748079
Molecular FormulaC19H19BrP2
Molecular Weight389.21 g/mol
Exact Mass388.01
IUPAC Namemethylphosphanyl(triphenyl)phosphanium bromide
SMILESCP[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C19H19P2.BrH/c1-20-21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16,20H,1H3;1H/q+1;/p-1
InChIKeySWVBMLPRHXYKBC-UHFFFAOYSA-M
XLogP1.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylphosphanyl(triphenyl)phosphanium bromide?
The IUPAC name of methylphosphanyl(triphenyl)phosphanium bromide (CID 174748079) is methylphosphanyl(triphenyl)phosphanium bromide.
What is the SMILES notation for methylphosphanyl(triphenyl)phosphanium bromide?
The canonical SMILES for methylphosphanyl(triphenyl)phosphanium bromide is CP[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of methylphosphanyl(triphenyl)phosphanium bromide?
The InChIKey is SWVBMLPRHXYKBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H19P2.BrH/c1-20-21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16,20H,1H3;1H/q+1;/p-1.
What are the key properties of methylphosphanyl(triphenyl)phosphanium bromide?
methylphosphanyl(triphenyl)phosphanium bromide has a molecular weight of 389.21 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphanyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 174748079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).